4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine

C12H17ClN2 — CID 105067287

IUPAC4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
SMILESCN(c1cnccc1CCl)C1CCCC1
InChIInChI=1S/C12H17ClN2/c1-15(11-4-2-3-5-11)12-9-14-7-6-10(12)8-13/h6-7,9,11H,2-5,8H2,1H3
InChIKeyVUHDDXQHABRGBG-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.20
Rot. Bonds3

About 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine

4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine (PubChem CID 105067287) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
PubChem CID105067287
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine
SMILESCN(c1cnccc1CCl)C1CCCC1
InChIInChI=1S/C12H17ClN2/c1-15(11-4-2-3-5-11)12-9-14-7-6-10(12)8-13/h6-7,9,11H,2-5,8H2,1H3
InChIKeyVUHDDXQHABRGBG-UHFFFAOYSA-N
XLogP3.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-N-cyclopropyl-N-methylpyridin-4-amine
CID 81238671
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 105067315
4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine
CID 105067384
N-[5-chloro-2-(chloromethyl)phenyl]-N-methylcycloheptanamine
CID 114846425
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
N-cycloheptyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81247152
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81249487

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine (CID 105067287) is 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine is CN(c1cnccc1CCl)C1CCCC1.
What is the InChIKey of 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine?
The InChIKey is VUHDDXQHABRGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-15(11-4-2-3-5-11)12-9-14-7-6-10(12)8-13/h6-7,9,11H,2-5,8H2,1H3.
What are the key properties of 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine?
4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine has a molecular weight of 224.73 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-cyclopentyl-N-methylpyridin-3-amine is sourced from PubChem (CID 105067287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).